{
  "schema": "semiagora.process-simulation.v1",
  "experiment_id": "SA-PROC-CVD-ALD-GPC-001",
  "title": "ALD growth-per-cycle saturation and conformality",
  "execution_mode": "precomputed-only",
  "model_boundary": "Educational ALD saturation replay. It is not a precursor-specific kinetics model, reactor recipe, impurity prediction, or qualified semiconductor process window.",
  "process": {
    "family": "chemical vapor deposition",
    "method": "atomic layer deposition",
    "nominal_saturated_gpc_nm_per_cycle": 0.11,
    "nominal_cycles": 100,
    "tracked_knobs": [
      "precursor dose time",
      "purge discipline",
      "temperature window",
      "aspect ratio"
    ]
  },
  "dose_sweep": {
    "precursor_pulse_s": [0.05, 0.1, 0.2, 0.5, 1, 2, 4],
    "gpc_nm_per_cycle": [0.0123, 0.0233, 0.0417, 0.0766, 0.0998, 0.1091, 0.11],
    "thickness_after_100_cycles_nm": [1.23, 2.33, 4.17, 7.66, 9.98, 10.91, 11],
    "saturation_threshold_gpc_nm_per_cycle": 0.1045,
    "first_saturated_pulse_s": 2
  },
  "temperature_window": [
    { "temperature_c": 120, "relative_gpc": 0.78, "interpretation": "low-temperature incomplete reaction risk" },
    { "temperature_c": 150, "relative_gpc": 0.98, "interpretation": "near-window" },
    { "temperature_c": 200, "relative_gpc": 1, "interpretation": "ideal teaching window" },
    { "temperature_c": 250, "relative_gpc": 0.99, "interpretation": "near-window" },
    { "temperature_c": 300, "relative_gpc": 0.94, "interpretation": "thermal-decomposition risk begins" },
    { "temperature_c": 350, "relative_gpc": 0.82, "interpretation": "outside teaching window" }
  ],
  "aspect_ratio_conformality": [
    { "aspect_ratio": 1, "top_coverage_percent": 100, "middle_coverage_percent": 99, "bottom_coverage_percent": 98 },
    { "aspect_ratio": 5, "top_coverage_percent": 100, "middle_coverage_percent": 93, "bottom_coverage_percent": 84 },
    { "aspect_ratio": 20, "top_coverage_percent": 100, "middle_coverage_percent": 71, "bottom_coverage_percent": 43 },
    { "aspect_ratio": 20, "top_coverage_percent": 100, "middle_coverage_percent": 90, "bottom_coverage_percent": 82, "note": "extended-dose replay" }
  ],
  "derived_metrics": {
    "nominal_saturated_100_cycle_thickness_nm": 11,
    "first_saturated_pulse_s": 2,
    "public_claim": "ALD thickness control comes from dose saturation and cycle count, but high aspect ratio features still need exposure-time discipline."
  },
  "methods": [
    "Use theta = 1 - exp(-dose / tau) to replay self-limiting surface-site saturation.",
    "Multiply saturated growth-per-cycle by surface coverage to obtain thickness per cycle.",
    "Separate temperature-window interpretation from the dose saturation curve.",
    "Treat high-aspect-ratio coverage as a transport warning, not a reactor-specific result."
  ],
  "limitations": [
    "No precursor identity, sticking coefficient, pressure, purge time, byproduct transport, plasma enhancement, nucleation delay, or impurity incorporation is modeled.",
    "No material-specific dielectric constant, density, stress, roughness, leakage, or breakdown claim is made.",
    "The 0.11 nm/cycle number is a teaching scale used to make cycle-count arithmetic visible.",
    "A real ALD recipe must be qualified with facility process windows and measured film metrology."
  ],
  "sources": [
    {
      "label": "George 2010 ALD overview",
      "url": "https://pubmed.ncbi.nlm.nih.gov/19947596/",
      "use": "Review source for ALD as sequential, self-limiting surface reactions with conformal film control."
    },
    {
      "label": "Puurunen 2005 ALD surface chemistry",
      "url": "https://cris.vtt.fi/en/publications/surface-chemistry-of-atomic-layer-deposition-a-case-study-for-the/",
      "use": "Peer-reviewed source metadata and DOI for TMA/H2O ALD surface-chemistry case study."
    },
    {
      "label": "NIST ALD publication record",
      "url": "https://www.nist.gov/publications/atomic-layer-deposition-mos2-films-using-bistert-butylimido-bisdimethylamidomolybdenum",
      "use": "Public source for growth-per-cycle framing and linear thickness scaling with cycles."
    }
  ]
}